{"code":"SASDX72","status":"Published","type_of_curve":"Single concentration","angular_unit":"1/A","project":{"title":"Structural enzymological studies of the long chain fatty acyl-CoA synthetase FadD5 from the mce1 operon of Mycobacterium tuberculosis.","publication":{"title":"Structural enzymological studies of the long chain fatty acyl-CoA synthetase FadD5 from the mce1 operon of Mycobacterium tuberculosis.","author_list":"Rahman MA, Dalwani S, Venkatesan R","journal":"Biochem Biophys Res Commun","doi":"10.1016/j.bbrc.2025.151960","pmid":"40347623","published_date":"2025 May 9"},"status":"released","submitted_date":"2025-03-06","released_date":"2025-03-07"},"pddf_data":null,"intensities_data":"https://www.sasbdb.org/media/intensities_files/SASDX72.dat","intensities_log_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDX72_dat_img.png","intensities_kratky_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDX72_kratky_img.png","pddf_plot":null,"intensities_guinier_plot":"https://www.sasbdb.org/media/intensities_files/scattering_plots/SASDX72_guinier_img.png","sascif_data":"https://www.sasbdb.org/media/sascif/sascif_files/SASDX72.sascif","experiment":{"instrument":{"detector":{"type":null,"name":"Eiger 4M","resolution":75.0},"name":"Diamond Light Source","city":"Didcot","country":"UK","beamline_name":"B21","beam_geometry":null,"type_of_source":"X-ray synchrotron","point_source":null,"line_collimation":null,"sample_path_length":null,"line_collimation_slitlength":null,"line_collimation_integrationwidth":null,"xray_energy":null,"beam_profile_ah":null,"beam_profile_al":null},"sample":{"molecule":[{"long_name":"Probable fatty-acid-CoA ligase FadD5 (Fatty-acid-CoA synthetase) (Fatty-acid-CoA synthase)","short_name":"FadD5","sequence":"MGSSHHHHHHSQDPNSMTAQLASHLTRALTLAQQQPYLARRQNWVNQLERHAMMQPDAPALRFVGNTMTWADLRRRVAALAGALSGRGVGFGDRVMILMLNRTEFVESVLAANMIGAIAVPLNFRLTPTEIAVLVEDCVAHVMLTEAALAPVAIGVRNIQPLLSVIVVAGGSSQDSVFGYEDLLNEAGDVHEPVDIPNDSPALIMYTSGTTGRPKGAVLTHANLTGQAMTALYTSGANINSDVGFVGVPLFHIAGIGNMLTGLLLGLPTVIYPLGAFDPGQLLDVLEAEKVTGIFLVPAQWQAVCTEQQARPRDLRLRVLSWGAAPAPDALLRQMSATFPETQILAAFGQTEMSPVTCMLLGEDAIAKRGSVGRVIPTVAARVVDQNMNDVPVGEVGEIVYRAPTLMSCYWNNPEATAEAFAGGWFHSGDLVRMDSDGYVWVVDRKKDMIISGGENIYCAELENVLASHPDIAEVAVIGRADEKWGEVPIAVAAVTNDDLRIEDLGEFLTDRLARYKHPKALEIVDALPRNPAGKVLKTELRLRYGACVNVERRSASAGFTERRENRQKL","organism":"Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)","uniprot_code":"O07411","uniprot_range_first":1,"uniprot_range_last":554,"oligomerization":"dimer","molecular_type":"protein","uniprot_sequence":"MTAQLASHLTRALTLAQQQPYLARRQNWVNQLERHAMMQPDAPALRFVGNTMTWADLRRR\nVAALAGALSGRGVGFGDRVMILMLNRTEFVESVLAANMIGAIAVPLNFRLTPTEIAVLVE\nDCVAHVMLTEAALAPVAIGVRNIQPLLSVIVVAGGSSQDSVFGYEDLLNEAGDVHEPVDI\nPNDSPALIMYTSGTTGRPKGAVLTHANLTGQAMTALYTSGANINSDVGFVGVPLFHIAGI\nGNMLTGLLLGLPTVIYPLGAFDPGQLLDVLEAEKVTGIFLVPAQWQAVCTEQQARPRDLR\nLRVLSWGAAPAPDALLRQMSATFPETQILAAFGQTEMSPVTCMLLGEDAIAKRGSVGRVI\nPTVAARVVDQNMNDVPVGEVGEIVYRAPTLMSCYWNNPEATAEAFAGGWFHSGDLVRMDS\nDGYVWVVDRKKDMIISGGENIYCAELENVLASHPDIAEVAVIGRADEKWGEVPIAVAAVT\nNDDLRIEDLGEFLTDRLARYKHPKALEIVDALPRNPAGKVLKTELRLRYGACVNVERRSA\nSAGFTERRENRQKL","mw":61.719,"total_mw":123.438,"number_molecules":2,"complex_state":false,"deuteration":null,"molecule_source":"biological","molecule_description":"The protein construct used for SAXS contains an additional 16 non-native amino acids at the N-terminus, including a polyhistidine tag (MGSSHHHHHHSQDPNS)."}],"buffer":{"name":"20 mM HEPES, 500 mM NaCl, 5 mM MgCl2, 1 mM β-mercaptoethanol, 2 mM coenzyme A (CoA)","concentration_unit":null,"comment":null,"additive":null,"concentration":null,"pka":null,"ph":7.5,"deuteration":null},"purity_method":null,"name":"Fatty acyl-CoA synthetase FadD5 with 2 mM coenzyme A (CoA)","ext_coefficient":null,"contrast":null,"specific_vol":null,"dry_vol":null,"absorbption":null,"deuteration":null,"mixture":null},"contributor":[{"affiliation":[{"short_name":null,"address":"Finland","full_name":"University of Oulu","webpage":"https://www.oulu.fi"}],"contributor_name":"Rajaram","contributor_surname":"Venkatesan","orcid":"https://orcid.org/0000-0002-7257-1211"}],"concentration_method":null,"concentration_unit":null,"date":"2022-10-20","storage_temperature":-80.0,"cell_temperature":4.0,"exposure_time":1.0,"number_of_frames":20,"wavelength":0.09537,"sample_detector_distance":3.721,"concentration_min":null,"concentration_max":4.0,"sample_volume":null,"flow_rate":null,"s_min":0.101,"s_max":1.799,"total_exposure_time":null,"seccolumn":null},"fits":[{"models":[{"model_plot":"https://www.sasbdb.org/media/pdb_file/images/SASDX72_fit1_model1_img.png","software":"AlphaFold","pdb_link":[],"model_title":null,"type_of_model":"atomic","software_version":null,"model_data":"https://www.sasbdb.org/media/pdb_file/SASDX72_fit1_model1.pdb","model_mw":119.8,"bead_radius":null,"log":null,"symmetry":null,"comment":null,"user":1198}],"fit_unit":"1/A","fit_plot":"https://www.sasbdb.org/media/fitting_files/scattering_plots/SASDX72_fit1_fixed_fit_img.png","software":"FoXS","chi_square_value":0.271115,"p_value":0.0,"fit_residual_plot":"SASDX72_fit1_fitresiduals_img.png","fit_data":"https://www.sasbdb.org/media/fitting_files/SASDX72_fit1.fit","fit_log":null,"software_version":null,"description":""}],"estimated_volume_method":null,"pddf_software":null,"pddf_software_version":null,"i0_calibration_standard":null,"description":null,"experiment_description":"Synchrotron SAXS data from solutions of Fatty acyl-CoA synthetase in 20 mM HEPES, 500 mM NaCl, 5 mM MgCl2, 1 mM β-mercaptoethanol, 2 mM coenzyme A (CoA), pH 7.5 were collected on the B21 beam line at the Diamond Light Source (Didcot, UK) using a Eiger 4M detector at a sample-detector distance of 3.72 m and at a wavelength of λ = 0.09537 nm (I(s) vs s, where s = 4πsinθ/λ, and 2θ is the scattering angle). One solute concentration of 4.00 mg/ml was measured at 4°C. 20 successive 1 s frames were collected. The data were normalized to the intensity of the transmitted beam and radially averaged; the scattering of the solvent-blank was subtracted.","tags":[],"intensity_unit":"arbitrary","experimental_mw":127.0,"experimental_mw_error":null,"guinier_i0_mw":null,"guinier_i0_mw_error":null,"porod_mw":131.0,"porod_mw_error":null,"pddf_i0":null,"pddf_i0_error":null,"guinier_i0":0.174734,"guinier_i0_error":null,"pddf_rg":null,"pddf_rg_error":null,"guinier_rg":3.665,"guinier_rg_error":0.26,"pddf_dmax":12.0,"pddf_dmax_error":null,"porod_volume":210.0,"porod_volume_error":null,"estimated_volume":null,"estimated_volume_error":null,"guinier_point_first":48,"guinier_point_last":193,"pddf_point_first":null,"pddf_point_last":null,"i0_calibration_standard_data":null,"intensities_log_log_plot":"SASDX72_datloglog_img.png","symmetry":null,"last_modified":"2025-03-07T11:04:37.880002+01:00","bragg_peak":[]}